N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C11H10N4O — CID 134480825

IUPACN-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESc1coc(CNc2ncnc3cc[nH]c23)c1
InChIInChI=1S/C11H10N4O/c1-2-8(16-5-1)6-13-11-10-9(3-4-12-10)14-7-15-11/h1-5,7,12H,6H2,(H,13,14,15)
InChIKeyLELVRRKJDHIKAK-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.16
Rot. Bonds3

About N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 134480825) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID134480825
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC NameN-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESc1coc(CNc2ncnc3cc[nH]c23)c1
InChIInChI=1S/C11H10N4O/c1-2-8(16-5-1)6-13-11-10-9(3-4-12-10)14-7-15-11/h1-5,7,12H,6H2,(H,13,14,15)
InChIKeyLELVRRKJDHIKAK-UHFFFAOYSA-N
XLogP2.16
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 134480825) is N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is c1coc(CNc2ncnc3cc[nH]c23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is LELVRRKJDHIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-2-8(16-5-1)6-13-11-10-9(3-4-12-10)14-7-15-11/h1-5,7,12H,6H2,(H,13,14,15).
What are the key properties of N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 214.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 134480825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).